2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

C16H25ClN2O2 — CID 104816304

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCOc1cccc(Cl)c1C(CN)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H25ClN2O2/c1-11-9-19(10-16(2,3)21-11)13(8-18)15-12(17)6-5-7-14(15)20-4/h5-7,11,13H,8-10,18H2,1-4H3
InChIKeyBTXPUECYNJCWSX-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (PubChem CID 104816304) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
PubChem CID104816304
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCOc1cccc(Cl)c1C(CN)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H25ClN2O2/c1-11-9-19(10-16(2,3)21-11)13(8-18)15-12(17)6-5-7-14(15)20-4/h5-7,11,13H,8-10,18H2,1-4H3
InChIKeyBTXPUECYNJCWSX-UHFFFAOYSA-N
XLogP2.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (CID 104816304) is 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is COc1cccc(Cl)c1C(CN)N1CC(C)OC(C)(C)C1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The InChIKey is BTXPUECYNJCWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11-9-19(10-16(2,3)21-11)13(8-18)15-12(17)6-5-7-14(15)20-4/h5-7,11,13H,8-10,18H2,1-4H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine has a molecular weight of 312.84 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 104816304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).